SCHEMBL20313564

SCHEMBL20313564

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(CCCCCC)cc3)c(CC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ RARB P10826 9/20 0.41
▸ PTPN11 Q06124 2/20 0.40
▸ RARA P10276 2/20 0.38
▸ RARG P13631 1/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19855548 0.99 MEN1 (0.41) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL20313562 0.97 MEN1 (0.41) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL20322934 0.92 MEN1 (0.36) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL20313568 0.92 RARB (0.41) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL19722033 0.92 MEN1 (0.46) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL20313572 0.91 FFAR4 (0.36) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL19721938 0.91 PTPN11 (0.43) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL20313513 0.91 MAPK1 (0.39) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL20313502 0.91 MEN1 (0.47) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL19854220 0.90 RARB (0.39) MEN1ALDH1A1KMT2ARARBPTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 MEN1 980/4885ALDH1A1 2615/4885KMT2A 4178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback